Temocillin
(2S,5R,6S)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Identity
Temocillin
(2S,5R,6S)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID: 171758
Temocillin is a penicillin compound having a 6alpha-methoxy and 6beta-[2-carboxy(thiophen-3-yl)acetamido side-groups. It is a conjugate acid of a temocillin(2-).
2D Structure
Properties
C16H18N2O7S2
Molecular Formula
414.50
Molecular Weight
g/mol
414.0555
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
187
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
700
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Temocillin66148-78-5TemocillineTemocillinumTemocillinaBRL-17421BRL 17421 FREE ACIDBRL-17421 FREE ACID03QB156W6IN-((2S,5R,6S)-2-Carboxy-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic acid(2S,5R,6S)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidCHEBI:518176beta-[carboxy(thiophen-3-yl)acetamido]-6-methoxy-2,2-dimethylpenam-3alpha-carboxylic acid6beta-(carboxy(thiophen-3-yl)acetamido)-6-methoxy-2,2-dimethylpenam-3alpha-carboxylic acid(2S,5R,6S)-6-((2-carboxy-2-thiophen-3-ylacetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
Data from PubChem (NCBI)
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